N-(3,5-dimethylphenyl)-3-(4-fluorobenzene-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-3-(4-fluorobenzene-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxamide
N-(3,5-dimethylphenyl)-3-(4-fluorobenzene-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxamide
Compound characteristics
| Compound ID: | C566-0706 |
| Compound Name: | N-(3,5-dimethylphenyl)-3-(4-fluorobenzene-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxamide |
| Molecular Weight: | 451.47 |
| Molecular Formula: | C24 H18 F N O5 S |
| Smiles: | Cc1cc(C)cc(c1)NC(c1ccc2c(C=C(C(=O)O2)S(c2ccc(cc2)F)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5621 |
| logD: | 4.5621 |
| logSw: | -4.5017 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.752 |
| InChI Key: | TZQFJVVDPBAPKP-UHFFFAOYSA-N |